N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide

C24H23BrN2O3S — CID 60575082

About N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide

N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (PubChem CID 60575082) has the molecular formula C24H23BrN2O3S and a molecular weight of 499.43 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.

Molecular Properties

• Compound Name: N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
• PubChem CID: 60575082
• Molecular Formula: C24H23BrN2O3S
• Molecular Weight: 499.43 g/mol
• Exact Mass: 498.06
• IUPAC Name: N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
• SMILES: Cc1cc(Br)ccc1N(C)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1
• InChI: InChI=1S/C24H23BrN2O3S/c1-16-13-20(25)11-12-22(16)26(3)24(28)19-8-6-9-21(15-19)31(29,30)27-17(2)14-18-7-4-5-10-23(18)27/h4-13,15,17H,14H2,1-3H3
• InChIKey: QRLWWDUYVKTYCZ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 57.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.43
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?

The IUPAC name of N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (CID 60575082) is N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.

What is the SMILES notation for N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?

The canonical SMILES for N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is Cc1cc(Br)ccc1N(C)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1.

What is the InChIKey of N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?

The InChIKey is QRLWWDUYVKTYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3S/c1-16-13-20(25)11-12-22(16)26(3)24(28)19-8-6-9-21(15-19)31(29,30)27-17(2)14-18-7-4-5-10-23(18)27/h4-13,15,17H,14H2,1-3H3.

What are the key properties of N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?

N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide has a molecular weight of 499.43 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-2-methylphenyl)-N-methyl-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is sourced from PubChem (CID 60575082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).